N-[6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
| Internal ID | 970533b5-f2ae-45c8-85cd-903381a13a5c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H74N10O11/c1-26(2)36-41(62)51-32(23-30-19-15-14-16-20-30)40(61)55-37(28(4)56)42(63)52-33(25-34(46)58)39(60)50-27(3)44(65)66-29(5)38(43(64)54-36)53-35(59)24-31(57)21-17-12-10-8-6-7-9-11-13-18-22-49-45(47)48/h14-16,19-20,26-29,31-33,36-38,56-57H,6-13,17-18,21-25H2,1-5H3,(H2,46,58)(H,50,60)(H,51,62)(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H4,47,48,49) |
| InChI Key | RBGUDCDIMQSTMN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H74N10O11 |
| Molecular Weight | 931.10 g/mol |
| Exact Mass | 930.55385321 g/mol |
| Topological Polar Surface Area (TPSA) | 349.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of N-[6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/unk-dl-xithr1-dl-val-dl-phe-dl-xithr-dl-asn-dl-ala-1.jpg "2D Structure of N-[6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.49% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.19% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.67% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.25% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.06% | 94.73% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.04% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.75% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.23% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.94% | 93.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 81.64% | 98.57% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.01% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.90% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.46% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73805018 |
| LOTUS | LTS0081195 |
| wikiData | Q105233105 |